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nomad-lab
nomad-FAIR
Commits
a402a33b
Commit
a402a33b
authored
Mar 01, 2021
by
Alvin Noe Ladines
Browse files
Fix issue
#500
parent
e086c4b7
Pipeline
#94644
passed with stages
in 22 minutes and 55 seconds
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2
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ab933a73649ef7be873206a7fdb6aa0ef9886043
nomad/normalizing/encyclopedia/material.py
View file @
a402a33b
...
...
@@ -569,6 +569,8 @@ class Material1DNormalizer(MaterialNormalizer):
def
lattice_parameters
(
self
,
ideal
:
IdealizedStructure
,
std_atoms
:
Atoms
,
periodicity
:
NDArray
)
->
None
:
# 1D systems only have one lattice parameter: length in periodic dimension
periodic_indices
=
np
.
where
(
np
.
array
(
periodicity
)
==
True
)[
0
]
# noqa: E712
if
len
(
periodic_indices
)
==
0
:
return
cell
=
std_atoms
.
get_cell
()
a
=
np
.
linalg
.
norm
(
cell
[
periodic_indices
[
0
],
:])
*
1e-10
params
=
ideal
.
m_create
(
LatticeParameters
)
...
...
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